A curated list of awesome AI tools, libraries, papers, datasets, and frameworks that accelerate scientific discovery — from physics and chemistry to biology, materials, and beyond.

🚀🚀🚀A collection of some awesome public projects about Large Language Model(LLM), Vision Language Model(VLM), Vision Language Action(VLA), AI Generated Content(AIGC), the related Datasets and Applications.

Open Science Desktop — local-first, model-agnostic AI research workbench for macOS, Windows & Linux. Open-source Claude Science desktop alternative built on Tauri + MCP + agent skills.

A collection of resources and papers on AI Scientist / Robot Scientist

Open-source agent skills for AI for Science: topic exploration, literature survey, experiments, paper writing, and integrity audit — driven by any coding agent.

[ICLR 2026] Unleashing Scientific Reasoning for Bio-experimental Protocol Generation via Structured Component-based Reward Mechanism

ScienceOL Studio for Researchers with AI-native Calculation and Laboratory Management

About Code for UniGenX: Unified Generation of Sequence and Structure with Autoregressive Diffusion https://arxiv.org/abs/2503.06687

List of job market in AI4S

This repository lists some awesome public projects about AI4Science.

AI for Materials Science Training and Development

Structure-private verification framework for molecular toxicity repair tasks based on Groth16 zero-knowledge proofs. IFAC BIKA 2025 Best Paper.

🔬 Fork of helloianneo/ian-xiaohei-illustrations — Scientific illustration skill tailored for Materials, Batteries, Energy Science & AI4S domains. Features Nian'an IP with hand-drawn style, domain-specific composition patterns, and rigorous research accuracy QA.

Discover AI tools, MCP servers, and agent skills for scientific research across literature, data, writing, and lab work

NeuroTwin: A surrogate-driven AI4S workflow for brain network simulation, bridging macroscopic phenotypes with a Design-Simulate-Validate-Learn (DSVL) scientific loop.

Open-source Sci-Evo dataset release for AGI4S: protein/enzyme engineering trajectories, code, source papers, and MinerU artifacts.

AI4S power-market forecasting and energy-storage strategy pipeline with LightGBM, NWP diagnostics, and submission validation.

Unofficial Codex plugin adaptation of Open Science with 18 research skills and reproducible scientific MCP deployment.

🎯 策士 (Academic CSO) — 对标 Sakana AI Marlin 的学术策略官。选题之前，先选战场。